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/********************************************************************** |
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* Copyright (C) 2002-2003 by Gezelter's Group |
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*This program is free software; you can redistribute it and/or modify |
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*it under the terms of the GNU General Public License as published by |
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*the Free Software Foundation version 2 of the License. |
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* |
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*This program is distributed in the hope that it will be useful, |
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*but WITHOUT ANY WARRANTY; without even the implied warranty of |
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*MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the |
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*GNU General Public License for more details. |
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* |
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************************************************************************ |
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*Author: Teng Lin Email: tlin@nd.edu |
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*Date: 08/13/2002 Version: 1.0 |
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* |
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************************************************************************ |
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*Description: |
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* |
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***********************************************************************/ |
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#ifndef FASATOM_H |
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#define FASATOM_H |
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#include <iostream> |
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//ATOM Property Macros |
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#define FAS_NORMAL_ATOM (1<<1) |
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< |
#define FAS_PROTEINBACK_ATOM (1<<2) |
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> |
#define FAS_PROTEINBACK_ATOM (1<<2) |
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#define FAS_NUCLEIC_ATOM (1<<3) |
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#define FAS_AROMATIC_ATOM (1<<4) |
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< |
#define FAS_RING_ATOM (1<<5) |
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#define FAS_RING_ATOM (1<<5) |
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#define FAS_CSTEREO_ATOM (1<<6) |
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#define FAS_ACSTEREO_ATOM (1<<7) |
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#define FAS_DONOR_ATOM (1<<8) |
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< |
#define FAS_ACCEPTOR_ATOM (1<<8) |
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#define FAS_ACCEPTOR_ATOM (1<<9) |
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#define FAS_CHIRAL_ATOM (1<<10) |
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namespace TAtomProp |
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const int apNormal = FAS_NORMAL_ATOM; |
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const int apProtein = FAS_PROTEINBACK_ATOM; |
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const int apNucleic = FAS_NUCLEIC_ATOM; |
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const int ap4Ring = FAS_4RING_ATOM; |
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const int ap3Ring = FAS_3RING_ATOM; |
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const int apAromatic = FAS_AROMATIC_ATOM; |
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const int apRing = FAS_RING_ATOM; |
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const int apCStereo = FAS_CSTEREO_ATOM; |
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const int apACStereo = FAS_ACSTEREO_ATOM; |
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const int apDonor = FAS_DONOR_ATOM; |
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const int apAcceptor = FAS_ACCEPTOR_ATOM; |
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< |
const int apChiral = FAS_CHIRAL_ATOM; |
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const int apChiral = FAS_CHIRAL_ATOM; |
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}; |
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class TFASAtom |
